Structure of PDB 6xcb Chain A Binding Site BS01

Receptor Information

>6xcb Chain A (length=414) Species: 1491 (Clostridium botulinum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QFVNKQFNYKDPVNGVDIAYIKIPNVQMQPVKAFKIHNKIWVIPERDTFT
NPEEGDLNPPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTD
LGRMLLTSIVRGIPFWGGSTIDTELKVIDTNCINVIQSYRSEELNLVIIG
PSADIIQFECKSFGLNLTRNGYGSTQYIRFSPDFTFGFEESLEVDTNPLL
GAGKFATDPAVTLAHELIHAGHRLYGIAINPNRVFKVNTNAYYEMSGLEV
SFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDIASTLNKAKSIVGTTA
SLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFF
KVLNRKTYLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAANFNGQNTEI
NNMNFTKLKNFTGL

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

6xcb Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6xcb Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
Resolution	1.74 Å
Binding residue (original residue number in PDB)	H223 H227 E262
Binding residue (residue number reindexed from 1)	H215 H219 E254
Annotation score	4

Enzymatic activity

Enzyme Commision number

3.4.24.69: bontoxilysin.

Gene Ontology

	Molecular Function
GO:0004222	metalloendopeptidase activity
GO:0008270	zinc ion binding

	Biological Process
GO:0006508	proteolysis

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Molecular Function

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Biological Process

External links

PDB	RCSB:6xcb, PDBe:6xcb, PDBj:6xcb
PDBsum	6xcb
PubMed	32886509
UniProt	P0DPI0\|BXA1_CLOBO Botulinum neurotoxin type A (Gene Name=botA)

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